N-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C17H15N5O3S — CID 5097842

IUPACN-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C17H15N5O3S/c1-11(23)19-13-4-6-14(7-5-13)20-15(24)10-26-17-22-21-16(25-17)12-3-2-8-18-9-12/h2-9H,10H2,1H3,(H,19,23)(H,20,24)
InChIKeyZUMOSJBHUUEVLF-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.82
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 5097842) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID5097842
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC NameN-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C17H15N5O3S/c1-11(23)19-13-4-6-14(7-5-13)20-15(24)10-26-17-22-21-16(25-17)12-3-2-8-18-9-12/h2-9H,10H2,1H3,(H,19,23)(H,20,24)
InChIKeyZUMOSJBHUUEVLF-UHFFFAOYSA-N
XLogP2.82
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-Nitrophenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 779799
N-(2,5-dimethylphenyl)-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 934375
1-Piperidin-1-yl-2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 1071908
N-ethyl-N-phenyl-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 2981823
N-(3-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7559267
N-cyclopentyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16298011
N-(4-methylcyclohexyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 16303439
Benzoic acid, 2-[2-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetylamino]-, methyl ester
CID 660454
N-(4-methylphenyl)-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 937401
3-[5-(3-Phenyl-allylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 1581526
3-[5-(Prop-2-en-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 4920344
2-[(4-Bromophenyl)methylthio]-5-(3-pyridinyl)-1,3,4-oxadiazole
CID 758305

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 5097842) is N-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is ZUMOSJBHUUEVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-11(23)19-13-4-6-14(7-5-13)20-15(24)10-26-17-22-21-16(25-17)12-3-2-8-18-9-12/h2-9H,10H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 369.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 5097842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).